Strained bandstructure at symmetry points

[PR]

Hello Sir, I am trying to plot the band structure in strained InAs supercell at symmetry points mentioned in post http://quantumwise.com/forum/index.php?topic=2096.0#.U3xoO7GSnIU     by following the same procedure of this post. The calculation completed successfully but I am unable to plot (see) the band structure neither in VNL nor according to the script given in post:

Code

...  
bs = nlread('bandstructure.nc', Bandstructure)[0]  
  
# Override the symmetry points  
bs._Bandstructure__lattice.symmetryPoints = Hexagonal.symmetryPoints  
  
# The bandstructure energies  
data = bs.evaluate()  
  
# Setup the axises.  

Please tell me how can I plot the band structure. Thanks PR

[Anders Blom]

You need to provide more details than that. To start with, the complete script. Besides, you will not be able to see that plot in VNL unless you have a very recent version.

[PR]

Thanks for the reply Anders sir.
I am using ATK 13.8.1, the latest version. PFA the script I am using to calculate the band structure.
I don't know how to plot the band structure. It would be of great help if you can send me the code to read/plot band structure or tell me how can I see it in VNL.

[Anders Blom]

This will be possible to do properly in ATK 2014, coming out soon. For now, you have to work around it, using the attached plotting script.
Thanks for raising the issue, it allowed us to pinpoint a hidden bug.

[PR]

Thanks for the script sir. Now it's working fine.

[ramkrishna]

Not able to print the bs data with nlprint(bs). Please help.

[Anders Blom]

Will work in 2014.

[ramkrishna]

I understand, but the preview version of 2014 is not accessing license from the license server. I was checking the download section, it is saying "For preview versions of ATK 2014 you need updated packages LM-X  - contact support for details!". As currently 13.8.1 is running with the previous LM-X so I am waiting for the final version of 2014 to update the LM-X.

As it is urgent, so if you kindly help me with the command line to print the bs then it will be very much helpful.

Thanks
Ramkrishna

[Anders Blom]

Sorry about the delay on this one!
You can get the new LM-X binaries for ATK 2014 from the download page now.

[ramkrishna]

Thanks. I will check that. 

--Ramkrishna